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TomoATT/singularity/tomoatt.def

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2025-12-17 10:53:43 +08:00
Bootstrap: docker
From: ubuntu:16.04
%help
This is a test container.
%files
../../TomoATT /opt/TomoATT
%environment
export PKG_DIR=/opt/packages
export SINGULARITY_PKG_DIR=$PKG_DIR
export SINGULARITYENV_APPEND_PATH=$PKG_DIR/bin
export SINGULAIRTYENV_APPEND_LD_LIBRARY_PATH=$PKG_DIR/lib
export PATH=$PKG_DIR/bin:$PATH
export PATH=/opt/TomoATT/build/bin:$PATH
export LD_LIBRARY_PATH=$PKG_DIR/lib:$LD_LIBRARY_PATH
%post
echo "Installing required packages..."
apt-get update && apt-get install -y wget git bash gcc gfortran g++ make file apt-transport-https ca-certificates
# install gcc-9 and g++-9
apt-get install -y software-properties-common && \
add-apt-repository ppa:ubuntu-toolchain-r/test -y && \
apt-get update -y && \
apt-get install -y gcc-9 g++-9 && \
update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-9 60 --slave /usr/bin/g++ g++ /usr/bin/g++-9
# install latest cmake
apt update && \
apt install -y software-properties-common lsb-release && \
apt clean all && \
wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null && \
apt-add-repository "deb https://apt.kitware.com/ubuntu/ $(lsb_release -cs) main" && \
apt update && \
apt install kitware-archive-keyring && \
rm /etc/apt/trusted.gpg.d/kitware.gpg && \
apt-key adv --keyserver keyserver.ubuntu.com --recv-keys 6AF7F09730B3F0A4 && \
apt update && \
apt install -y cmake && \
apt clean all
export PKG_DIR=/opt/packages
export NPROC=4
echo "Installing Open MPI"
export OMPI_VERSOIN_MAJOR=3.0
export OMPI_VERSION_FULL=3.0.1
export OMPI_URL="https://download.open-mpi.org/release/open-mpi/v$OMPI_VERSOIN_MAJOR/openmpi-$OMPI_VERSION_FULL.tar.gz"
mkdir -p /tmp/ompi
mkdir -p /opt
# Download
cd /tmp/ompi && wget -O openmpi-$OMPI_VERSION_FULL.tar.gz $OMPI_URL && tar -xvf openmpi-$OMPI_VERSION_FULL.tar.gz
# Compile and install
cd /tmp/ompi/openmpi-$OMPI_VERSION_FULL && ./configure --prefix=$PKG_DIR && make -j$NPROC && make install
# Set env variables so we can compile our application
export PATH=$PKG_DIR/bin:$PATH
export LD_LIBRARY_PATH=$PKG_DIR/lib:$LD_LIBRARY_PATH
export MANPATH=$PKG_DIR/share/man:$MANPATH
echo "openmpi installed."
echo "Compiling hdf5"
export HDF5_VERSION_MAJOR=1.13
export HDF5_VERSION_FULL=1.13.2
export HDF5_URL="https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-$HDF5_VERSION_MAJOR/hdf5-$HDF5_VERSION_FULL/src/hdf5-$HDF5_VERSION_FULL.tar.gz"
mkdir -p /tmp/hdf5
cd /tmp/hdf5 && wget -O hdf5-$HDF5_VERSION_FULL.tar.gz $HDF5_URL && tar -xvf hdf5-$HDF5_VERSION_FULL.tar.gz && cd hdf5-$HDF5_VERSION_FULL
tar -xvf hdf5-$HDF5_VERSION_FULL.tar.gz && cd hdf5-$HDF5_VERSION_FULL
CC=mpicc CXX=mpic++ ./configure --enable-parallel --enable-unsupported --enable-shared --enable-cxx --prefix=$PKG_DIR && make -j$NPROC && make install
echo "hdf5 installed."
cd /opt/TomoATT
mkdir -p build && cd build && rm -rf ./*
cmake .. -DCMAKE_PREFIX_PATH=$PKG_DIR
make -j$NPROC
echo "TomoATT installed."
%labels
Maintainer MasaruNagaso
Version v1.0